N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide

C18H19N3O2S2 — CID 46661307

IUPACN-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CSc1nc2ccsc2c(=O)n1C
InChIInChI=1S/C18H19N3O2S2/c1-12(13-7-5-4-6-8-13)20(2)15(22)11-25-18-19-14-9-10-24-16(14)17(23)21(18)3/h4-10,12H,11H2,1-3H3
InChIKeyYFLVYSYTDSTZHD-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.31
Rot. Bonds5

About N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide

N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide (PubChem CID 46661307) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
PubChem CID46661307
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
SMILESCC(c1ccccc1)N(C)C(=O)CSc1nc2ccsc2c(=O)n1C
InChIInChI=1S/C18H19N3O2S2/c1-12(13-7-5-4-6-8-13)20(2)15(22)11-25-18-19-14-9-10-24-16(14)17(23)21(18)3/h4-10,12H,11H2,1-3H3
InChIKeyYFLVYSYTDSTZHD-UHFFFAOYSA-N
XLogP3.31
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 87019191
N-(2-cyanoethyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 46660981
2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 17418807
2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 39072332
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8981389
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-methylthieno[3,2-d]pyrimidin-4-one
CID 33336404
2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylcyclobutyl)acetamide
CID 87019194
N-(4-methoxyphenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33335871
3-methyl-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylthieno[3,2-d]pyrimidin-4-one
CID 46661639
N,N-dimethyl-3-[(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzamide
CID 55988670
N-(3-acetamidophenyl)-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 33337236
N-[1-(3,4-dimethylphenyl)ethyl]-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 46661021

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide?
The IUPAC name of N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide (CID 46661307) is N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)CSc1nc2ccsc2c(=O)n1C.
What is the InChIKey of N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide?
The InChIKey is YFLVYSYTDSTZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-12(13-7-5-4-6-8-13)20(2)15(22)11-25-18-19-14-9-10-24-16(14)17(23)21(18)3/h4-10,12H,11H2,1-3H3.
What are the key properties of N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide?
N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide has a molecular weight of 373.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 46661307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).